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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/64/2106471.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106471
loop_
_publ_author_name
'van Bolhuis, F.'
'Tucker, P.A.'
_publ_section_title
;
 Refinement of the crystal structure of cesium dichloroiodide
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2613
_journal_page_last               2614
_journal_volume                  29
_journal_year                    1973
_chemical_formula_sum            'Cl2 Cs I'
_chemical_name_systematic        'Cs (I Cl2)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                70.67
_cell_angle_beta                 70.67
_cell_angle_gamma                70.67
_cell_formula_units_Z            1
_cell_length_a                   5.469
_cell_length_b                   5.469
_cell_length_c                   5.469
_cell_volume                     141.079
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            vanBolhuis_ACBCAR_1973_1027.cif
_cod_data_source_block           Cl2Cs1I1
_cod_original_cell_volume        141.0789
_cod_original_sg_symbol_Hall     '-R 3 2" (-y+z,x+z,-x+y+z)'
_cod_chemical_formula_sum_orig   'Cl2 Cs1 I1'
_cod_database_code               2106471
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
-y,-x,-z
-z,-y,-x
-x,-z,-y
-x,-y,-z
-z,-x,-y
-y,-z,-x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
I1 I+1 0.5 0.5 0.5 1 0.0
Cs1 Cs+1 0 0 0 1 0.0
Cl1 Cl-1 0.2913 0.2913 0.2913 1 0.0